SCHEMBL28532170

SCHEMBL28532170

CCP(=O)(CC)OC(C)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
SMPD1 P17405 3/20 0.34
LAP3 P28838 3/20 0.33
METAP1 P53582 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
GAPDH P04406 1/20 0.31
CTSA P10619 1/20 0.31
ACHE P22303 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPM8 Q7Z2W7 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28534819 0.79 TSHR (0.46) TSHRSMPD1LAP3
SCHEMBL20672228 0.75 LAP3 (0.31) TSHRLAP3METAP1MMP1MMP2
SCHEMBL21219389 0.72 TSHR (0.58) TSHRSMPD1L3MBTL1
SCHEMBL1080348 0.71 CTSA (0.36) SMPD1CTSAACHE
SCHEMBL9749945 0.70 TSHR (0.55) TSHRSMPD1L3MBTL1
SCHEMBL20691702 0.70 TSHR (0.41) TSHRLAP3MMP1MMP2MMP3
SCHEMBL8762715 0.70 CTSA (0.39) LAP3METAP1MMP1MMP2MMP3
SCHEMBL8056927 0.69
SCHEMBL7717615 0.69 CTSA (0.35) LAP3CTSAACHE
SCHEMBL5488572 0.69 TSHR (0.32) TSHRL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480168-B Phosphorus-containing flame retardant and flame-retardant high polymer material 江苏利思德新材料有限公司 2022-05-31 CN disclosed
CN-112480168-A Phosphorus-containing flame retardant and flame-retardant high polymer material 江苏利思德新材料有限公司 2021-03-12 CN disclosed